SCHEMBL3586314

SCHEMBL3586314

O=C(c1ccc(F)cc1)N1CCC[C@H](c2nc(-c3ccccn3)co2)C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.56
CLPP Q16740 1/20 0.56
ATM Q13315 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
HSD11B1 P28845 2/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
NAMPT P43490 1/20 0.49
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
MAP3K12 Q12852 1/20 0.47
POLB P06746 1/20 0.47
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP3A4 P08684 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
TSHR P16473 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30794880 1.00 GRM5 (0.56) GRM5CLPPATML3MBTL1HSD11B1
SCHEMBL3586318 1.00 GRM5 (0.56) GRM5CLPPATML3MBTL1HSD11B1
SCHEMBL3591534 0.90 PDE2A (0.49) GRM5CLPPL3MBTL1HSD11B1NAMPT
SCHEMBL3591531 0.90 PDE2A (0.49) GRM5CLPPL3MBTL1HSD11B1NAMPT
SCHEMBL3585860 0.88 GRM5 (0.58) GRM5CLPPATML3MBTL1HSD11B1
SCHEMBL3585856 0.88 GRM5 (0.58) GRM5CLPPATML3MBTL1HSD11B1
SCHEMBL3584326 0.86 GRM5 (0.58) GRM5CLPPATML3MBTL1HSD11B1
SCHEMBL30794762 0.86 GRM5 (0.58) GRM5CLPPATML3MBTL1HSD11B1
SCHEMBL3584320 0.86 GRM5 (0.58) GRM5CLPPATML3MBTL1HSD11B1
SCHEMBL3584728 0.86 GRM5 (0.68) GRM5CLPPATML3MBTL1HSD11B1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2089386-B1 OXAZOLE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMACEUTICALS SA (CH) 2012-08-08 EP claimed
US-20100081690-A1 OXAZOLE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2010-04-01 US claimed
CN-101558065-A Oxazole derivatives as positive allosteric modulators of metabotropic glutamate receptors ADDEX PHARMACEUTICALS SA (CH) 2009-10-14 CN claimed
EP-2089386-B1 OXAZOLE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMACEUTICALS SA (CH) 2012-08-08 EP disclosed
US-20100081690-A1 OXAZOLE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2010-04-01 US disclosed
US-20100081690-A1 OXAZOLE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2010-04-01 US disclosed
CN-101558065-A Oxazole derivatives as positive allosteric modulators of metabotropic glutamate receptors ADDEX PHARMACEUTICALS SA (CH) 2009-10-14 CN disclosed
WO-2008056259-A2 OXAZOLE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA S.A. (CH) 2008-05-15 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100081690-A1 OXAZOLE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 GRM5 1/4885CLPP 4528/4885ATM 3877/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.